General Information of the Compound
Compound ID
CP0092904
Compound Name
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
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Structure
Formula
C19H19N3O5
Molecular Weight
369.377
Canonical SMILES
CCOC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1
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InChI
InChI=1S/C19H19N3O5/c1-4-26-19(23)22-12-5-7-13(8-6-12)27-18-14-9-16(24-2)17(25-3)10-15(14)20-11-21-18/h5-11H,4H2,1-3H3,(H,22,23)
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InChIKey
KWDAJLCLDANXGD-UHFFFAOYSA-N
Physicochemical Property
logP
4.0077
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
91.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
27

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 54582388
ChEMBL ID
CHEMBL1761932
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 10000 nM